1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea

C18H14F2N4O — CID 121165562

IUPAC1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccnc(-c2ccncc2)c1)Nc1c(F)cccc1F
InChIInChI=1S/C18H14F2N4O/c19-14-2-1-3-15(20)17(14)24-18(25)23-11-12-4-9-22-16(10-12)13-5-7-21-8-6-13/h1-10H,11H2,(H2,23,24,25)
InChIKeySMIKFXIVKHSQPZ-UHFFFAOYSA-N
MW340.33 g/mol
LogP3.74
Rot. Bonds4

About 1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea

1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea (PubChem CID 121165562) has the molecular formula C18H14F2N4O and a molecular weight of 340.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea
PubChem CID121165562
Molecular FormulaC18H14F2N4O
Molecular Weight340.33 g/mol
Exact Mass340.11
IUPAC Name1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccnc(-c2ccncc2)c1)Nc1c(F)cccc1F
InChIInChI=1S/C18H14F2N4O/c19-14-2-1-3-15(20)17(14)24-18(25)23-11-12-4-9-22-16(10-12)13-5-7-21-8-6-13/h1-10H,11H2,(H2,23,24,25)
InChIKeySMIKFXIVKHSQPZ-UHFFFAOYSA-N
XLogP3.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-3-[(2-methoxy-4-pyridinyl)methyl]urea
CID 47032147
2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165301
3,4-difluoro-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165286
1-(3-phenylpropyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea
CID 121165553
1-(2,6-difluorophenyl)-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555212
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
CID 119100867
3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
2-methylsulfanyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyridine-3-carboxamide
CID 121165300
1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea
CID 47038823
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]furan-3-carboxamide
CID 121018130
1-[(4-bromophenyl)methyl]-3-(2,6-difluorophenyl)urea
CID 108899456
methyl 2-[(2-pyridin-4-yl-4-pyridinyl)methylcarbamoyl]benzoate
CID 121165433

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea (CID 121165562) is 1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea is O=C(NCc1ccnc(-c2ccncc2)c1)Nc1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea?
The InChIKey is SMIKFXIVKHSQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O/c19-14-2-1-3-15(20)17(14)24-18(25)23-11-12-4-9-22-16(10-12)13-5-7-21-8-6-13/h1-10H,11H2,(H2,23,24,25).
What are the key properties of 1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea?
1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea has a molecular weight of 340.33 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[(2-pyridin-4-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 121165562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).